CONFLIST LEU        LEUBK LEU01

NATOM    LEUBK      6
NATOM    LEU01      13

IATOM    LEUBK  N   0
IATOM    LEUBK  H   1
IATOM    LEUBK  CA  2
IATOM    LEUBK  HA  3
IATOM    LEUBK  C   4
IATOM    LEUBK  O   5
IATOM    LEU01  CB  0
IATOM    LEU01 1HB  1
IATOM    LEU01 2HB  2
IATOM    LEU01  CG  3
IATOM    LEU01  HG  4
IATOM    LEU01  CD1 5
IATOM    LEU01 1HD1 6
IATOM    LEU01 2HD1 7
IATOM    LEU01 3HD1 8
IATOM    LEU01  CD2 9
IATOM    LEU01 1HD2 10
IATOM    LEU01 2HD2 11
IATOM    LEU01 3HD2 12

ATOMNAME LEUBK    0  N  
ATOMNAME LEUBK    1  H  
ATOMNAME LEUBK    2  CA 
ATOMNAME LEUBK    3  HA 
ATOMNAME LEUBK    4  C  
ATOMNAME LEUBK    5  O  
ATOMNAME LEU01    0  CB 
ATOMNAME LEU01    1 1HB 
ATOMNAME LEU01    2 2HB 
ATOMNAME LEU01    3  CG 
ATOMNAME LEU01    4  HG 
ATOMNAME LEU01    5  CD1
ATOMNAME LEU01    6 1HD1
ATOMNAME LEU01    7 2HD1
ATOMNAME LEU01    8 3HD1
ATOMNAME LEU01    9  CD2
ATOMNAME LEU01   10 1HD2
ATOMNAME LEU01   11 2HD2
ATOMNAME LEU01   12 3HD2






#1.Basic Conformer Information: name, pka, em, rxn.
PROTON   LEU01      0
PKA      LEU01      0.0
ELECTRON LEU01      0
EM       LEU01      0.0
RXN      LEU01      0

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  LEUBK  N   sp2       -1    C   0     CA  0     H
CONNECT  LEUBK  H   s         0     N
CONNECT  LEUBK  CA  sp3       0     N   0     C   0     CB  0     HA
CONNECT  LEUBK  HA  s         0     CA
CONNECT  LEUBK  C   sp2       0     CA  0     O   1     N
CONNECT  LEUBK  O   sp2       0     C
CONNECT  LEU01  CB  sp3       0     CA  0     CG  0    1HB  0    2HB 
CONNECT  LEU01 1HB  s         0     CB
CONNECT  LEU01 2HB  s         0     CB
CONNECT  LEU01  CG  sp3       0     CB  0     CD1 0     CD2 0     HG
CONNECT  LEU01  HG  s         0     CG
CONNECT  LEU01  CD1 sp3       0     CG  0    1HD1 0    2HD1 0    3HD1
CONNECT  LEU01 1HD1 s         0     CD1
CONNECT  LEU01 2HD1 s         0     CD1
CONNECT  LEU01 3HD1 s         0     CD1
CONNECT  LEU01  CD2 sp3       0     CG  0    1HD2 0    2HD2 0    3HD2
CONNECT  LEU01 1HD2 s         0     CD2
CONNECT  LEU01 2HD2 s         0     CD2
CONNECT  LEU01 3HD2 s         0     CD2
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I

#3.Atom Parameters: Partial Charges and Radii
CHARGE   LEUBK  N    -0.350
CHARGE   LEUBK  H     0.250
CHARGE   LEUBK  CA    0.100
CHARGE   LEUBK  C     0.550
CHARGE   LEUBK  O    -0.550

# Radii parseres.siz
RADIUS   LEU    N   1.50
RADIUS   LEU    H   1.00
RADIUS   LEU    CA  2.00
RADIUS   LEU    HA  0.00
RADIUS   LEU    C   1.70
RADIUS   LEU    O   1.40
RADIUS   LEU    CB  2.00
RADIUS   LEU   1HB  0.00
RADIUS   LEU   2HB  0.00
RADIUS   LEU    CG  2.00
RADIUS   LEU    HG  0.00
RADIUS   LEU    CD1 2.00
RADIUS   LEU   1HD1 0.00
RADIUS   LEU   2HD1 0.00
RADIUS   LEU   3HD1 0.00
RADIUS   LEU    CD2 2.00
RADIUS   LEU   1HD2 0.00
RADIUS   LEU   2HD2 0.00
RADIUS   LEU   3HD2 0.00

#4.Rotomer
#=========================================================================
#        GRP   #      BOND     AFFECTED_ATOMS
#123456789012345678901234567890
#-------|---|----|-|---------|----|----|----|----|----|----|----|----|----
ROTAMER  LEU   0     CA - CB   CG   CD1  CD2
ROTAMER  LEU   1     CB - CG   CD1  CD2
#=========================================================================

